PDB-code
| Kinase structure | |
| Kinase: | MAP4K3 (KHS2) |
| Family: | STE20 |
| Group: | STE |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2087 |
| PDB: | 5J5T |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2016-10-26 |
| PubMed: | 27727493 |
| Chain: | A |
| Orthosteric ligand: | 6G2 |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 53.5° (15.6Å) |
| G-rich loop rotation: | 84.9° |
| Quality Score: | 9.7 |
| Resolution: | 2.85 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 3 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | ||||
| Pocket alignment | |
| Uniprot sequence: | QRIGSGTYGDVYKAAIKVIVVQQEIIMMKDCKPNIVAYFGSWICMEFCGGGSLQDIYHVYLHSKGKMHRDIKGANILLLADFGVS |
| Sequence structure: | QRIGSGTYGDVYKAAIKVIVVQQEIIMMKDCKPNIVAYFGSWICMEFCGGGSLQDIYHVYLHSKGKMHRDIKGANILLLADFGVS |
| Ligand affinity | |
| Ligand not found in ChEMBL. | |
Kinase-ligand interaction pattern
• Hydrophobic • Aromatic face-to-face • Aromatic face-to-edge • H-bond donor • H-bond acceptor • Ionic positive • Ionic negative
| I | g.l | II | III | αC | |||||||||||||||
| 1 Q 20 | 2 R 21 | 3 I 22 | 4 G 23 | 5 S 24 | 6 G 25 | 7 T 26 | 8 Y 27 | 9 G 28 | 10 D 29 | 11 V 30 | 12 Y 31 | 13 K 32 | 14 A 42 | 15 A 43 | 16 I 44 | 17 K 45 | 18 V 46 | 19 I 47 | 20 V 57 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 V 58 | 22 Q 59 | 23 Q 60 | 24 E 61 | 25 I 62 | 26 I 63 | 27 M 64 | 28 M 65 | 29 K 66 | 30 D 67 | 31 C 68 | 32 K 69 | 33 P 71 | 34 N 72 | 35 I 73 | 36 V 74 | 37 A 75 | 38 Y 76 | 39 F 77 | 40 G 78 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 79 | 42 W 87 | 43 I 88 | 44 C 89 | 45 M 90 | 46 E 91 | 47 F 92 | 48 C 93 | 49 G 94 | 50 G 95 | 51 G 96 | 52 S 97 | 53 L 98 | 54 Q 99 | 55 D 100 | 56 I 101 | 57 Y 102 | 58 H 103 | 59 V 104 | 60 Y 126 |
| • | • | •• | •• | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 127 | 62 H 128 | 63 S 129 | 64 K 130 | 65 G 131 | 66 K 132 | 67 M 133 | 68 H 134 | 69 R 135 | 70 D 136 | 71 I 137 | 72 K 138 | 73 G 139 | 74 A 140 | 75 N 141 | 76 I 142 | 77 L 143 | 78 L 144 | 79 L 152 | 80 A 153 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 154 | 82 F 155 | 83 G 156 | 84 V 157 | 85 S 158 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
